2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol

C23H33NO — CID 10640840

IUPAC2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol
SMILESCN(C)c1ccccc1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H33NO/c1-22(2,3)18-14-16(15-19(21(18)25)23(4,5)6)13-17-11-9-10-12-20(17)24(7)8/h9-12,14-15,25H,13H2,1-8H3
InChIKeyOSFPVXQZNNFOOB-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.64
Rot. Bonds3

About 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol

2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol (PubChem CID 10640840) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol
PubChem CID10640840
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol
SMILESCN(C)c1ccccc1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H33NO/c1-22(2,3)18-14-16(15-19(21(18)25)23(4,5)6)13-17-11-9-10-12-20(17)24(7)8/h9-12,14-15,25H,13H2,1-8H3
InChIKeyOSFPVXQZNNFOOB-UHFFFAOYSA-N
XLogP5.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,2,3-triol
CID 139747892
2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol
CID 20503924
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
3-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]-2-methylprop-2-enoic acid
CID 56992584
4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol
CID 87990128
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,2-diol
CID 5239155
2,6-ditert-butyl-4-[[3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-phenylsulfanylphenyl]methyl]phenol
CID 58276202
2,6-ditert-butyl-4-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]phenol
CID 23046350
4-[2-(4-benzylphenyl)ethyl]-2,6-ditert-butylphenol
CID 149334289
2,6-ditert-butyl-4-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-ium-7-yl)methyl]phenol
CID 154431663
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
CID 159788549
4-(benzotriazol-2-yl)-2,6-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 88765694

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol (CID 10640840) is 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol is CN(C)c1ccccc1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol?
The InChIKey is OSFPVXQZNNFOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-22(2,3)18-14-16(15-19(21(18)25)23(4,5)6)13-17-11-9-10-12-20(17)24(7)8/h9-12,14-15,25H,13H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol?
2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol has a molecular weight of 339.52 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol is sourced from PubChem (CID 10640840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).